SCHEMBL15544172

SCHEMBL15544172

COc1ncc([N+](=O)[O-])cc1N(C(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
KAT2B Q92831 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15544175 1.00 CYP2C19 (0.37) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL15545353 0.86 ALDH1A1 (0.39) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16680148 0.84 CYP2C19 (0.39) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL17467169 0.81 CYP2C19 (0.42) CYP2C19ALDH1A1KMT2AMEN1MAPT
SCHEMBL17467166 0.81 CYP2C19 (0.42) CYP2C19ALDH1A1KMT2AMEN1MAPT
SCHEMBL15081220 0.75 CYP2C19 (0.42) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3318266 0.75 CTSV (0.48) CYP2C19ALDH1A1KMT2AMEN1MAPT
SCHEMBL15545435 0.72 KMT2A (0.44) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL15545438 0.72 KMT2A (0.44) CYP2C19ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16680219 0.72 CYP1A2 (0.52) CYP2C19KMT2AMEN1CYP1A2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
EP-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R CYP2C19 2065/4885ALDH1A1 3165/4885KMT2A 1060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.